5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol

C15H25NO3 — CID 106160109

IUPAC5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNCC(O)COc1ccccc1
InChIInChI=1S/C15H25NO3/c1-13(11-17)6-5-9-16-10-14(18)12-19-15-7-3-2-4-8-15/h2-4,7-8,13-14,16-18H,5-6,9-12H2,1H3
InChIKeyLQDBMVGZFYSKJS-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.42
Rot. Bonds10

About 5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol

5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol (PubChem CID 106160109) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol
PubChem CID106160109
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNCC(O)COc1ccccc1
InChIInChI=1S/C15H25NO3/c1-13(11-17)6-5-9-16-10-14(18)12-19-15-7-3-2-4-8-15/h2-4,7-8,13-14,16-18H,5-6,9-12H2,1H3
InChIKeyLQDBMVGZFYSKJS-UHFFFAOYSA-N
XLogP1.42
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245
1-[4,4-bis(4-methoxyphenyl)butylamino]-3-phenoxypropan-2-ol
CID 11604503
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680
7-[(2-hydroxy-3-phenoxypropyl)amino]heptanoic acid
CID 3304910
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968
5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
CID 106160001
1-(4-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60745292
5-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131486
(2S)-1-[2-(benzylamino)ethylamino]-3-phenoxypropan-2-ol
CID 129389592
1-(3-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60743860
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol (CID 106160109) is 5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol is CC(CO)CCCNCC(O)COc1ccccc1.
What is the InChIKey of 5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol?
The InChIKey is LQDBMVGZFYSKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13(11-17)6-5-9-16-10-14(18)12-19-15-7-3-2-4-8-15/h2-4,7-8,13-14,16-18H,5-6,9-12H2,1H3.
What are the key properties of 5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol?
5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 1.42, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106160109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).